Structure Information
Structure

Compound Identification

SMILES

COC1=CC=CC=C1NC(=S)N(CC1=CC=C(Br)C=C1)CC1=CC=C(C=C1)C([O-])=O

InChIKey

InChIKey=KXEIKTAKWOARFZ-UHFFFAOYSA-M

Formula

C23H20BrN2O3S

Mass

484.39

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

N-phenylthioureas

Intermediate Tree Nodes

Not available

Direct Parent

N-phenylthioureas

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

N-phenylthiourea - Benzoic acid - Benzoic acid or derivatives - Methoxyaniline - Benzoyl - Phenoxy compound - Phenol ether - Anisole - Methoxybenzene - Halobenzene - Bromobenzene - Alkyl aryl ether - Aryl bromide - Aryl halide - Thiourea - Carboxylic acid salt - Ether - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organic anion - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as n-phenylthioureas. These are compounds containing a N-phenylthiourea moiety, which is structurally characterized by a phenyl group linked to one nitrogen atom of a thiourea group.

External Descriptors

Not available

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